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Information card for entry 7032622
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Coordinates | 7032622.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | PNNiCOD |
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Formula | C22 H36 N Ni P |
Calculated formula | C22 H36 N Ni P |
SMILES | c1cccc2C[P](C(C)(C)C)(C(C)(C)C)[Ni]345([CH]6=[CH]4CC[CH]5=[CH]3CC6)[n]12 |
Title of publication | Nickel promoted functionalization of CO2 to anhydrides and ketoacids. |
Authors of publication | Greenburg, Zoe R.; Jin, Dong; G Williard, Paul; Bernskoetter, Wesley H. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 42 |
Pages of publication | 15990 - 15996 |
a | 7.668 ± 0.0004 Å |
b | 9.5525 ± 0.0006 Å |
c | 15.1227 ± 0.0009 Å |
α | 77.602 ± 0.002° |
β | 87.452 ± 0.002° |
γ | 72.077 ± 0.002° |
Cell volume | 1029.1 ± 0.1 Å3 |
Cell temperature | 198 ± 2 K |
Ambient diffraction temperature | 198 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0278 |
Residual factor for significantly intense reflections | 0.0253 |
Weighted residual factors for significantly intense reflections | 0.0666 |
Weighted residual factors for all reflections included in the refinement | 0.0681 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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